M401-0031 Screening compound: 3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one

M401-0031 Screening compound: 3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one
M401-0031 Screening compound: 3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M401-0031
3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M401-0031

Molecular Formula

C25H28ClN5O2 (C25 H28 ClN5 O2)

Compound Name

3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(piperidin-1-yl)-34-dihydroquinazolin-4-one

SMILES

O=C(CN1C(N2CCCCC2)=Nc(cccc2)c2C1=O)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C25H28ClN5O2/c26-19-7-6-8-20(17-19)28-13-15-29(16-14-28)23(32)18-31-24(33)21-9-2-3-10-22(21)27-25(31)30-11-4-1-5-12-30/h2-3,6-10,17H,1,4-5,11-16,18H2

InChI Key

YFADSHFURQFGHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-3.67

Polar Surface Area

48.475

Acid Dissociation Constant (pKa)

26.73

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M401-0031 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with M401-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M401-0031?
Check Price and Availability of M401-0031, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M401-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M401-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M401-0031
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M401-0031 available by request